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Predictive-property-ranked variable reduction in partial least squares modelling with final complexity adapted models: Comparison of properties for ranking
Authors:Jan P.M. Andries  Yvan Vander Heyden  Lutgarde M.C. Buydens
Affiliation:1. Department of Life Sciences, Avans Hogeschool, University of Professional Education, P.O. Box 90116, 4800 RA Breda, The Netherlands;2. Department of Analytical Chemistry and Pharmaceutical Technology, Center for Pharmaceutical Research, Vrije Universiteit Brussel-VUB, Laarbeeklaan 103, B-1090 Brussels, Belgium;3. Radboud University Nijmegen, Institute for Molecules and Materials, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands
Abstract:
The calibration performance of partial least squares regression for one response (PLS1) can be improved by eliminating uninformative variables. Many variable-reduction methods are based on so-called predictor-variable properties or predictive properties, which are functions of various PLS-model parameters, and which may change during the steps of the variable-reduction process. Recently, a new predictive-property-ranked variable reduction method with final complexity adapted models, denoted as PPRVR-FCAM or simply FCAM, was introduced. It is a backward variable elimination method applied on the predictive-property-ranked variables. The variable number is first reduced, with constant PLS1 model complexity A, until A variables remain, followed by a further decrease in PLS complexity, allowing the final selection of small numbers of variables.
Keywords:Variable reduction   Partial least squares   Predictor-variable properties   Final complexity adapted models
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